SCHEMBL3040917

SCHEMBL3040917

CC(C)(C)OC(=O)n1c(-c2ccc(Cl)c3c2C(=O)NC3)cc2cc(CN3CCN(CCC#N)CC3)ccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.41
NR1H3 Q13133 3/20 0.41
ATR Q13535 2/20 0.35
ATRIP Q8WXE1 2/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
GAA P10253 1/20 0.34
MYLK Q15746 2/20 0.34
NSD2 O96028 1/20 0.34
TBK1 Q9UHD2 3/20 0.33
PCSK9 Q8NBP7 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
ALOX15 P16050 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DRD4 P21917 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3054418 0.91 NR1H2 (0.37) NR1H2NR1H3ATRATRIPTBK1
SCHEMBL3050168 0.91 ATR (0.35) NR1H2NR1H3ATRATRIPTBK1
SCHEMBL3047734 0.90 VEGFA (0.40) NR1H2NSD2TBK1
SCHEMBL3047029 0.90 NR1H2 (0.37) NR1H2NR1H3ATRATRIPTBK1
SCHEMBL3047413 0.89 NR1H2 (0.36) NR1H2NR1H3ATRATRIPTBK1
SCHEMBL3034090 0.88 LTA4H (0.36) NR1H2NR1H3ATRATRIPTBK1
SCHEMBL3047969 0.88 HTR2A (0.38) NR1H2NR1H3ATRATRIPTBK1
SCHEMBL3050056 0.88 ATR (0.41) NR1H2NR1H3ATRATRIPBRD4
SCHEMBL3046498 0.88 NR1H2 (0.35) NR1H2NR1H3ATRATRIPTBK1
SCHEMBL3050788 0.87 KDM4E (0.36) NR1H2NR1H3ATRATRIPALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 NR1H2 21/4885NR1H3 25/4885ATR 1385/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.